Chemical ID: 6851835

CC(C(=O)Nc1cc(ccc1Cl)Cl)Oc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl
Chemical ID:
6851835
Name [?]:
N-(4-chlorophenyl)-4-[1-[(2,5-dichlorophenyl)carbamoyl]ethoxy]benzamide
SMILES [?]:
CC(C(=O)Nc1cc(ccc1Cl)Cl)Oc2ccc(cc2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H17Cl3N2O3/c1-13(21(28)27-20-12-16(24)6-11-19(20)25)30-18-9-2-14(3-10-18)22(29)26-17-7-4-15(23)5-8-17/h2-13H,1H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,17,19,26,28,9,25,29,16,20,10,7,2,18,27,8,24,15,11,6,3,21,30,13,12,23,5,4,22,14/E:(2,3)(4,5)(7,8)(9,10)/rA:30cCCCONCCCCCCClClOCCCCCCCONCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s8;s2;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17Cl3N2O3
All Atoms:47
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.7812
Area:695.948
Solvation:-4.61751
Coulombic:-52.3512
Bond Count [?]
All:32
Single:21
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:463.74
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.04
LogP (Chemaxon):5.37

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Descriptor Annotations

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